SCHEMBL5584141

SCHEMBL5584141

Clc1ccc(C2=CC[N]CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.45
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
CYP1B1 Q16678 1/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.36
NOTUM Q6P988 1/20 0.36
MAPK10 P53779 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5435967 0.81 NOTUM (0.46) NOTUM
SCHEMBL3126530 0.81 SIGMAR1 (0.46) NPC1RAB9ALMNATSHR
SCHEMBL3121636 0.77 HTR2C (0.53) NPC1RAB9ANPY5RNOTUMMAPK10
SCHEMBL3541274 0.76 TSHR (0.32) TSHR
SCHEMBL2253193 0.75 MAPK14 (0.38) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL5584837 0.74 NISCH (0.42) CYP1B1HPGDALDH1A1MAPTNPSR1
SCHEMBL5585114 0.73 NISCH (0.37) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL240095 0.72 SIGMAR1 (0.42) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL3817071 0.72 AHR (0.50) AHRNPFFR1NPFFR2CYP1B1HPGD
SCHEMBL3116016 0.71 CHRNB4 (0.47) MAPTMEN1KMT2ANOTUMKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A AHR 1642/4885NPFFR1 111/4885NPFFR2 262/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A AHR 1642/4885NPFFR1 111/4885NPFFR2 262/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.